Detailed information for compound 1098896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.378 | Formula: C13H13NO2S2
  • H donors: 0 H acceptors: 1 LogP: 2.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OCC2(C1)CSC(=S)N2Cc1ccccc1
  • InChi: 1S/C13H13NO2S2/c15-11-6-13(8-16-11)9-18-12(17)14(13)7-10-4-2-1-3-5-10/h1-5H,6-9H2
  • InChiKey: MRDFPSUMUBCYAZ-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0449 0.6146 0.7766
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0761 0.0955
Echinococcus granulosus intermediate filament protein 0.0029 0.0219 0.0268
Brugia malayi beta-lactamase family protein 0.0113 0.1405 0.1747
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.1331 0.1684
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0069 0.0078
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0221 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1405 0.2193
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.278 0.4457
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0382 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Echinococcus multilocularis lamin dm0 0.0029 0.0219 0.0268
Echinococcus granulosus importin subunit beta 1 0.0028 0.0205 0.025
Brugia malayi Bromodomain containing protein 0.0083 0.0985 0.1214
Echinococcus granulosus BC026374 protein S09 family 0.0097 0.1178 0.1482
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0449 0.6146 1
Echinococcus multilocularis muscleblind protein 1 0.0304 0.4089 0.5169
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0735 0.089
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Echinococcus multilocularis carboxylesterase 5A 0.0574 0.7904 1
Echinococcus granulosus acetylcholinesterase 0.0574 0.7904 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0449 0.6146 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0469 0.2972
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0069 0.0078
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0382 0.0509
Brugia malayi Importin beta-1 subunit 0.0028 0.0205 0.0223
Schistosoma mansoni hypothetical protein 0.0176 0.2292 0.2869
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1331 0.2072
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.1331 0.1648
Brugia malayi Muscleblind-like protein 0.0304 0.4089 0.5155
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0165 0.0166
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0165 0.02
Trichomonas vaginalis spcc417.12 protein, putative 0.0097 0.1178 0.1819
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0449 0.6146 1
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.278 0.4457
Brugia malayi beta-lactamase 0.0113 0.1405 0.1747
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0073 0.0056
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0221 0.4782
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1904 0.3059
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.1405 0.177
Brugia malayi Cytochrome P450 family protein 0.0017 0.005 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1853 0.2337
Echinococcus granulosus lamin dm0 0.0029 0.0219 0.0268
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1405 0.177
Schistosoma mansoni ap endonuclease 0.0019 0.0073 0.005
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0073 0.0093
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.005 0.0064
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0221 0.0243
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0761 0.0955
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1331 0.2072
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1405 0.2243
Echinococcus granulosus 6 phosphofructokinase 0.0108 0.1331 0.1677
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0221 0.111
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1331 0.2072
Loa Loa (eye worm) hypothetical protein 0.0046 0.0459 0.058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.214 0.2082
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.005 0.0027
Brugia malayi PHD-finger family protein 0.0031 0.0252 0.0283
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0314 0.4234 0.6872
Schistosoma mansoni BC026374 protein (S09 family) 0.0097 0.1178 0.1453
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0097 0.1178 0.1819
Plasmodium falciparum importin beta, putative 0.0028 0.0205 0.0217
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.005 0.0064
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0219 0.0277
Schistosoma mansoni hypothetical protein 0.0299 0.4026 0.5073
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1405 0.6482
Mycobacterium tuberculosis Conserved protein 0.0113 0.1405 0.1342
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1405 0.6482
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.006 0.0033
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0219 0.0241
Leishmania major mitochondrial DNA polymerase beta 0.0314 0.4234 0.6872
Echinococcus multilocularis geminin 0.0176 0.2292 0.2893
Loa Loa (eye worm) hypothetical protein 0.0574 0.7904 1
Echinococcus granulosus cpg binding protein 0.0035 0.0299 0.0369
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0469 0.0652
Loa Loa (eye worm) acetyltransferase 0.0153 0.1968 0.249
Echinococcus granulosus snurportin 1 0.0299 0.4026 0.5089
Brugia malayi 6-phosphofructokinase 0.0108 0.1331 0.1654
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0469 0.0652
Brugia malayi Carboxylesterase family protein 0.0097 0.1178 0.1458
Loa Loa (eye worm) hypothetical protein 0.0029 0.0219 0.0277
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0449 0.6146 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.006 0.0066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1853 0.2337
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0221 0.111
Loa Loa (eye worm) aspartyl aminopeptidase 0.0449 0.6146 0.7776
Schistosoma mansoni cpg binding protein 0.0031 0.0246 0.0269
Onchocerca volvulus 0.0097 0.1178 0.8082
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0219 0.0277
Loa Loa (eye worm) hypothetical protein 0.0028 0.0205 0.0259
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0432 0.0651
Loa Loa (eye worm) hypothetical protein 0.0018 0.0069 0.0088
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1405 0.1778
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0073 0.0083
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0449 0.6146 1
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1405 0.1342
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1331 0.2072
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0568 0.0874
Echinococcus granulosus acetylcholinesterase 0.0574 0.7904 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4234 0.6872
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.1874 0.2363
Schistosoma mansoni ap endonuclease 0.0019 0.0073 0.005
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0073 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1853 0.2311
Leishmania major hypothetical protein, conserved 0.0113 0.1405 0.2243
Onchocerca volvulus 0.0031 0.0246 0.0224
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1904 0.3059
Loa Loa (eye worm) hypothetical protein 0.0304 0.4089 0.5173
Echinococcus granulosus lamin 0.0029 0.0219 0.0268
Brugia malayi CXXC zinc finger family protein 0.0031 0.0246 0.0275
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0205 0.028
Schistosoma mansoni importin beta-1 0.0028 0.0205 0.0217
Loa Loa (eye worm) hypothetical protein 0.0304 0.4089 0.5173
Echinococcus multilocularis acetylcholinesterase 0.0574 0.7904 1
Brugia malayi Carboxylesterase family protein 0.0574 0.7904 1
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1405 0.2193
Onchocerca volvulus 0.0097 0.1178 0.8082
Onchocerca volvulus 0.0097 0.1178 0.8082
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0469 0.2972
Trypanosoma brucei cytochrome P450, putative 0.0017 0.005 0.0027
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0097 0.1178 0.1453
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0069 0.0045
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0073 0.0064
Brugia malayi Carboxylesterase family protein 0.0097 0.1178 0.1458
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.013 0.0094
Loa Loa (eye worm) phosphofructokinase 0.0108 0.1331 0.1684
Mycobacterium ulcerans hypothetical protein 0.0113 0.1405 0.6482
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1405 0.1342
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0432 0.0651
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.1331 0.1648
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0336 0.0416
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1405 0.2243
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1405 0.1342
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0221 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0165 0.02
Loa Loa (eye worm) beta-lactamase 0.0113 0.1405 0.1778
Toxoplasma gondii ABC1 family protein 0.0113 0.1405 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1853 0.2311
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0121 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.278 0.4457
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0097 0.1178 0.1453
Echinococcus granulosus geminin 0.0176 0.2292 0.2893
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0449 0.6146 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0246 0.0311
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.1853 0.2316
Schistosoma mansoni bromodomain containing protein 0.0071 0.0814 0.0991
Loa Loa (eye worm) carboxylesterase 0.0097 0.1178 0.149
Echinococcus multilocularis acetylcholinesterase 0.0574 0.7904 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0449 0.6146 0.6118
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0449 0.6146 1
Leishmania major cytochrome p450-like protein 0.0017 0.005 0.0027
Brugia malayi Cytochrome P450 family protein 0.0017 0.005 0.0027
Brugia malayi Carboxylesterase family protein 0.0097 0.1178 0.1458
Brugia malayi RNA, U transporter 1 0.008 0.0933 0.1148
Leishmania major ATP-dependent phosphofructokinase 0.0108 0.1331 0.2123
Schistosoma mansoni cpg binding protein 0.0035 0.0299 0.0336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1853 0.2311
Brugia malayi Carboxylesterase family protein 0.0574 0.7904 1
Toxoplasma gondii hypothetical protein 0.0051 0.0523 0.3381
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0211 0.278 0.4457
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1405 0.1342
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Mycobacterium tuberculosis Conserved protein 0.0113 0.1405 0.1342
Loa Loa (eye worm) hypothetical protein 0.0014 0.0007 0.0009
Trichomonas vaginalis importin beta-1, putative 0.0023 0.013 0.0094
Schistosoma mansoni lamin 0.0029 0.0219 0.0235
Echinococcus multilocularis BC026374 protein (S09 family) 0.0097 0.1178 0.1482
Mycobacterium ulcerans 6-phosphofructokinase 0.0108 0.1331 0.613
Mycobacterium ulcerans lipase LipD 0.0113 0.1405 0.6482
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0449 0.6146 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0314 0.4234 0.6872
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0221 0.0243
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1405 0.1342
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0336 0.0416
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1405 0.2193
Schistosoma mansoni zinc finger protein 0.0026 0.0174 0.0177
Mycobacterium leprae Probable lipase LipE 0.0113 0.1405 0.0153
Echinococcus granulosus zinc finger protein 0.0026 0.0174 0.021
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Mycobacterium ulcerans hypothetical protein 0.0165 0.214 1
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1405 0.2193
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0205 0.028
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0073 0.0064
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0449 0.6146 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.1331 0.2072
Echinococcus granulosus para nitrobenzyl esterase 0.0097 0.1178 0.1482
Echinococcus multilocularis neuroligin 0.0097 0.1178 0.1482
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0097 0.1178 0.1113
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0112 0.0142
Brugia malayi Carboxylesterase family protein 0.0097 0.1178 0.1458
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Onchocerca volvulus 0.0097 0.1178 0.8082
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0149 0.1904 0.3059
Schistosoma mansoni gliotactin 0.0097 0.1178 0.1453
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0097 0.1178 0.1113
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.1331 0.2123
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0574 0.7904 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0069 0.0045
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0205 0.025
Schistosoma mansoni cpg binding protein 0.0035 0.0299 0.0336
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0097 0.1178 0.1482
Echinococcus multilocularis musashi 0.0029 0.0219 0.0268
Onchocerca volvulus 0.0097 0.1178 0.8082
Loa Loa (eye worm) hypothetical protein 0.0449 0.6146 0.7776
Mycobacterium tuberculosis Conserved protein 0.0113 0.1405 0.1342
Echinococcus granulosus neuroligin 0.0097 0.1178 0.1482
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0449 0.6146 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1405 0.1342
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.006 0.0066
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0108 0.1331 0.1267
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.1968 0.2462
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0073 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.1853 0.2344
Onchocerca volvulus 0.0113 0.1405 1
Mycobacterium leprae conserved hypothetical protein 0.0113 0.1405 0.0153
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0449 0.6146 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.1331 0.1684
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0073 0.0064
Echinococcus multilocularis aspartyl aminopeptidase 0.0449 0.6146 0.7774
Loa Loa (eye worm) hypothetical protein 0.0073 0.0846 0.107
Brugia malayi Bromodomain containing protein 0.0043 0.0423 0.05
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.013 0.0094
Brugia malayi hypothetical protein 0.0097 0.1178 0.1458
Loa Loa (eye worm) CYP4Cod1 0.0017 0.005 0.0064
Brugia malayi beta-lactamase family protein 0.0113 0.1405 0.1747
Schistosoma mansoni hypothetical protein 0.0021 0.0112 0.0099
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1331 0.2072
Brugia malayi 6-phosphofructokinase 0.0108 0.1331 0.1654
Schistosoma mansoni lamin 0.0029 0.0219 0.0235
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0073 0.0083
Loa Loa (eye worm) hypothetical protein 0.005 0.0512 0.0647
Onchocerca volvulus 0.0113 0.1405 1
Loa Loa (eye worm) hypothetical protein 0.0574 0.7904 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0221 0.1175
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0449 0.6146 0.7766
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0221 0.0243
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.005 0.0027
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0205 0.0989
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0211 0.278 0.4457
Loa Loa (eye worm) acetylcholinesterase 1 0.0574 0.7904 1
Loa Loa (eye worm) hypothetical protein 0.0449 0.6146 0.7776
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0469 0.0652
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.1331 0.2123
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.4026 0.5094
Leishmania major importin beta-1 subunit, putative 0.0023 0.013 0.0157
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0097 0.1178 0.1482
Echinococcus multilocularis 6 phosphofructokinase 0.0108 0.1331 0.1677
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0221 0.111
Brugia malayi Aspartyl aminopeptidase 0.0449 0.6146 0.7768
Schistosoma mansoni acetylcholinesterase 0.0097 0.1178 0.1453
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1405 0.1342
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.1331 0.2072
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0432 0.0651
Echinococcus multilocularis para nitrobenzyl esterase 0.0097 0.1178 0.1482
Echinococcus multilocularis zinc finger protein 0.0026 0.0174 0.021
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1405 0.2193
Mycobacterium tuberculosis Carboxylesterase LipT 0.0097 0.1178 0.1113
Plasmodium vivax importin-beta 2, putative 0.0028 0.0205 0.0217
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0449 0.6146 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0372 0.0471
Trichomonas vaginalis hypothetical protein 0.0211 0.278 0.4457
Echinococcus multilocularis snurportin 1 0.0299 0.4026 0.5089
Mycobacterium ulcerans beta-lactamase 0.0113 0.1405 0.6482
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0221 0.0243
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0469 0.0584
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1405 0.2193
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0221 0.0243
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Schistosoma mansoni hypothetical protein 0.0176 0.2292 0.2869
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0432 0.0651
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0097 0.1178 0.1453
Echinococcus granulosus carboxylesterase 5A 0.0574 0.7904 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1853 0.2337
Trichomonas vaginalis esterase, putative 0.0113 0.1405 0.2193
Loa Loa (eye worm) hypothetical protein 0.0029 0.0212 0.0268
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Onchocerca volvulus 0.0113 0.1405 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.1968 0.2482
Echinococcus granulosus muscleblind protein 0.0304 0.4089 0.5169
Loa Loa (eye worm) carboxylesterase 0.0574 0.7904 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0382 0.0509
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.006 0.0033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1405 0.1742
Brugia malayi intermediate filament protein 0.0029 0.0219 0.0241
Echinococcus granulosus aspartyl aminopeptidase 0.0449 0.6146 0.7774
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1405 0.1747
Entamoeba histolytica hypothetical protein 0.0023 0.013 0.0094
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0211 0.278 0.4457
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0029 0.0037
Schistosoma mansoni intermediate filament proteins 0.0029 0.0219 0.0235
Schistosoma mansoni neuroligin 3 (S09 family) 0.0097 0.1178 0.1453
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 0.1331 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1853 0.2337
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.013 0.0157
Mycobacterium ulcerans carboxylesterase, LipT 0.0097 0.1178 0.5394
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0221 0.0243
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.1968 0.2457
Loa Loa (eye worm) hypothetical protein 0.0097 0.1178 0.149
Echinococcus multilocularis lamin 0.0029 0.0219 0.0268
Brugia malayi phosphofructokinase 0.0108 0.1331 0.1654
Echinococcus multilocularis muscleblind protein 0.0304 0.4089 0.5169
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0073 0.0109
Loa Loa (eye worm) hypothetical protein 0.0113 0.1405 0.1778
Echinococcus multilocularis cpg binding protein 0.0035 0.0299 0.0369
Entamoeba histolytica aminopeptidase, putative 0.0449 0.6146 1
Loa Loa (eye worm) carboxylesterase 0.0097 0.1178 0.149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1405 0.1742
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1405 0.2243
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0221 0.0243
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0722 0.4875

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 ug ml-1 Antitumor activity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 21486694
IC50 (functional) > 50 ug ml-1 Antitumor activity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 21486694
IC50 (functional) > 50 ug ml-1 Antitumor activity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 21486694

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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